Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.40 |
| ▸ | SSTR2 | P30874 | 1/20 | 0.40 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.40 |
| ▸ | SSTR3 | P32745 | 1/20 | 0.40 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | CLPP | Q16740 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | CCR4 | P51679 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5239008 | 0.90 | CLPP (0.42) | L3MBTL1OPRK1MAPTMEN1KMT2A | |
| SCHEMBL5232940 | 0.89 | TACR2 (0.43) | L3MBTL1OPRK1MAPTMEN1KMT2A | |
| SCHEMBL5229554 | 0.89 | TACR2 (0.43) | L3MBTL1OPRK1MAPTMEN1KMT2A | |
| SCHEMBL5234092 | 0.79 | KMT2A (0.67) | L3MBTL1MAPTMEN1KMT2ASSTR1 | |
| SCHEMBL5230507 | 0.78 | MAPT (0.43) | L3MBTL1OPRK1MAPTMEN1KMT2A | |
| SCHEMBL877505 | 0.77 | DDB1 (0.57) | L3MBTL1OPRK1CYP2C19HDAC6HDAC1 | |
| SCHEMBL877537 | 0.77 | DDB1 (0.57) | L3MBTL1OPRK1CYP2C19HDAC6HDAC1 | |
| SCHEMBL7536713 | 0.75 | CCR4 (0.37) | L3MBTL1MAPTMEN1KMT2ASSTR1 | |
| SCHEMBL7536717 | 0.75 | CCR4 (0.37) | L3MBTL1MAPTMEN1KMT2ASSTR1 | |
| SCHEMBL5232904 | 0.74 | TACR2 (0.39) | OPRK1OPRM1HDAC6SIGMAR1HDAC1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6452001-B2 | 1,4-DIAZEPINE-2-ONE DERIVATIVES AS NEUROKININ ANTAGONIST | HOFFMANN-LA ROCHE INC. | 2002-09-17 | — | — | US | claimed |
| US-20020010174-A1 | Diazapane derivatives useful as antagonists of neurokinin 1 receptor and methods for their formation | F. HOFFMANN-LA ROCHE AG (CH) | 2002-01-24 | — | — | US | claimed |
| EP-1296961-A1 | 1,4-DIAZEPAN-2,5-DIONE DERIVATIVES AND THEIR USE AS NK-1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-04-02 | — | — | EP | disclosed |
| US-6452001-B2 | 1,4-DIAZEPINE-2-ONE DERIVATIVES AS NEUROKININ ANTAGONIST | HOFFMANN-LA ROCHE INC. | 2002-09-17 | — | — | US | disclosed |
| US-20020010174-A1 | Diazapane derivatives useful as antagonists of neurokinin 1 receptor and methods for their formation | F. HOFFMANN-LA ROCHE AG (CH) | 2002-01-24 | — | — | US | disclosed |
| WO-2001090083-A1 | 1,4-DIAZEPAN-2,5-DIONE DERIVATIVES AND THEIR USE AS NK-1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-11-29 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20020010174-A1 | Diazapane derivatives useful as antagonists of neurokinin 1 receptor and methods for their formation | BDKRB2, NPSR1, BDKRB1 | L3MBTL1 4081/4885OPRK1 128/4885MAPT 4885/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.